6-Methyl-2-pyridinecarboxaldehyde

Iupac Name：6-methylpyridine-2-carbaldehyde

Molecular Weight：121.13658

Modify Date.: 2022-11-10 22:49

Introduction: 6-Methyl-2-pyridinecarboxaldehyde was used in the synthesis of 1-(10-cyano- and -10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)-4-[(arylmethylene)amino]piperazines which are compounds that exhibits anticonvulsant properties. 6-Methyl-2-pyridinecarboxaldehydeSupplier View more+

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1. Names and Identifiers

1.1 Name: 6-Methyl-2-pyridinecarboxaldehyde
1.2 Synonyms: 2-FORMYL-6-METHYLPYRIDINE 2-Formyl-6-methylpyridine6-Methylpicolinaldehyde 2-FORMYL-6-PICOLINE 2-Methyl-6-pyridinecarboxaldehyde 2-Picoline-6-carboxaldehyde 2-Pyridinecarboxaldehyde, 6-methyl- 6-ForMyl-2-picoline 6-Methyl-2-formylpyridine 6-Methyl-2-picolinaldehyde 6-Methyl-2-pyridinecarbaldehyde 6-methyl-2-pyridinecarboxaldehyd 6-Methylpicolinaldehyde 6-Methylpyridine-2-aldehyde 6-Methylpyridine-2-carboxaldehyde NSC 8954 Picolinaldehyde, 6-methyl- TIMTEC-BB SBB004287

1.3 CAS No.: 1122-72-1

1.4 CID: 70737

1.5 EINECS(EC#): 214-359-8

1.6 Molecular Formula: C7H7NO (isomer)

1.7 Inchi: InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3

1.8 InChkey: AHISYUZBWDSPQL-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=NC(=CC=C1)C=O

1.10 Isomers Smiles: CC1=NC(=CC=C1)C=O

2. Properties

2.1 Density: 1.095

2.1 Melting point: 31-33℃

2.1 Boiling point: 188.6 °C at 760 mmHg

2.1 Refractive index: 1.527

2.1 Flash Point: 68℃

2.1 Precise Quality: 121.05300

2.1 PSA: 29.96000

2.1 logP: 1.20250

2.1 Solubility: 750 g/L (20 ºC)

2.2 Appearance: yellow semi-solid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: light yellow to brown low melting solid

2.5 Color/Form: Light yellow to brown

2.6 pKa: 3.96±0.10(Predicted)

2.7 Water Solubility: 750 g/L (20 oC)

2.8 Stability: Stable under normal temperatures and pressures.

2.9 StorageTemp: 0-6°C

3. Use and Manufacturing

3.1 Usage: 6-Methyl-2-pyridinecarboxaldehyde was used in the synthesis of 1-(10-cyano- and -10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)-4-[(arylmethylene)amino]piperazines which are compounds that exhibits anticonvulsant properties. 6-Methyl-2-pyridinecarboxaldehydeSupplier

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 RIDADR: UN 1325

4.1 WGK Germany: 3

4.1 Safety: Safty information about 2-Pyridinecarboxaldehyde, 6-methyl- (CAS NO.1122-72-1) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1325
WGK Germany: 3
F: 8-9-23
HazardClass: IRRITANT, LIGHT SENSITIVE, KEEP COLD

4.2 Sensitive: Light Sensitive/Air Sensitive

4.3 Specification: 2-Pyridinecarboxaldehyde, 6-methyl- , its cas register number is 1122-72-1. It also can be called 2-Formyl-6-methylpyridine ; 2-Methyl-6-pyridinecarboxaldehyde ; 6-Methyl-2-picolinaldehyde ; 6-Methyl-2-pyridinecarboxaldehyde ; 6-Methylpicolinaldehyde ; 6-Methylpyridine-2-aldehyde ; 6-Methylpyridyl-2-aldehyde ; NSC 8954 ; Picolinaldehyde, 6-methyl- ; 6-Methylpyridine-2-carbaldehyde . It is a light yellow to brown low melting solid.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : liquid film

Mass

7. Synthesis Route

1122-72-1Total: 11 Synthesis Route

108-48-5 148 Suppliers

1122-72-1 136 Suppliers

Literatures:
Synthetic Communications, , vol. 33, # 3 p. 475 - 480
Yield: ~61%

108-48-5 148 Suppliers

1122-72-1 136 Suppliers

5431-44-7 70 Suppliers

Literatures:
Chemische Berichte, , vol. 86, p. 584,587
Yield: null

108-48-5 148 Suppliers

1122-72-1 136 Suppliers

1620-75-3 95 Suppliers

63668-37-1

Literatures:
Angewandte Chemie - International Edition, , vol. 51, # 29 p. 7250 - 7253
Yield: ~48%

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8. Precursor and Product

precursor:

68-12-2

626-05-1

24191-24-0

6630-11-1

13287-64-4

108-48-5

1073-23-0

1122-71-0

78539-91-0

product :

22201-26-9

74808-18-7

1195-59-1

934-60-1

499-83-2

30413-58-2

171566-21-5

614750-82-2

356560-84-4

1029691-30-2

139912-37-1

6955-47-1

92765-75-8

68470-59-7

74808-20-1

6627-60-7

1761-19-9

1122-71-0

78539-91-0

41337-85-3

99584-05-1

39977-44-1

77195-97-2

5308-63-4

View all

9. Other Information

9.0 Usage: 6-Methyl-2-pyridinecarboxaldehyde was used in the synthesis of 1-(10-cyano- and -10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)-4-[(arylmethylene)amino]piperazines which are compounds that exhibits anticon vulsant properties. 6-Methylpyridine-2-carboxaldehyde is used to produce 1-(6-methyl-pyridin-2-yl)-hexan-1-one with pent-1-ene at temperature of 100°C. This reaction will need reagent 2-amino-3-picoline and catalysts (Ph3P)3RhCl, Cp2ZrCl2.

10. Computational chemical data

Molecular Weight: 121.13658g/mol
Molecular Formula: C₇H₇NO
Compound Is Canonicalized: True
XLogP3-AA: 1
Exact Mass: 121.052763847
Monoisotopic Mass: 121.052763847
Complexity: 103
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 30
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAACAihlgIygJIIEACoASxyxACCgCAnAiAImCGwZNgIIPLAlbGEIQhggADIyYcYiACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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6-Methylpyridine-2-carboxaldehydeCAS NO.: 1122-72-1

Purity:99%Packing: 200kg/bag FOB
Price: 3600 USD/metric ton
Time: 2023/05/11

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6-Methylpyridine-2-carboxaldehyde